Geometry & MOs

Info

ID:	221617
PubChem CID:	85285722
Reduced:	BrN5O6C24H26 (1)
Stoich.:	AB5C6D24E26 (1)
Weight, g/mol:	560.1577
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	2.6
IP(EA), eV:	-9.4(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 4-acetylsulfanyl-2-[3-[(4-nitrophenyl)methoxycarbonylamino]propyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)NC(=O)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations